MMsINC Database Search


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MMsINC code: MMs02738543

Type: Neutral
Formula: C₁₉H₁₇NO₄S₂

SMILES:

S(=O)(=O)(c1cc(S(=O)(=O)Nc2ccccc2)c(cc1)C)c1ccccc1

InChI:

InChI=1/C19H17NO4S2/c1-15-12-13-18(25(21,22)17-10-6-3-7-11-17)14-19(15)26(23,24)20-16-8-4-2-5-9-16/h2-14,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3743 kcal/mol

Physical Properties
Molecular Weight: 387.48 g/mol	logS: -5.17174	SlogP: 3.62862	Reactive groups: 0

Topological Properties
Globularity: 0.236811	Sterimol/B1: 3.13874	Sterimol/B2: 3.35037	Sterimol/B3: 5.46217
Sterimol/B4: 7.77259	Sterimol/L: 12.519

Surface and Volume Properties
Accessible surface: 556.384	Positive charged surface: 271.92	Negative charged surface: 284.464	Volume: 335.75
Hydrophobic surface: 426.443	Hydrophilic surface: 129.941

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.